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Phenyl carbamate

Phenyl carbamate structure

CAS No:
622-46-8
Formula:
C7H7NO2
Chemical Name:
Phenyl carbamate
Synonyms:
Carbamic acid,phenyl ester;Phenyl carbamate;NSC 66509;O-Phenyl carbamate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white to very slightly pink crystalline flakes

Phenyl carbamate Basic Attributes

Molecular Weight：

137.14

Exact Mass：

137.14

EC Number：

210-737-1

UNII：

JKB257U27V

NSC Number：

66509

DSSTox ID：

DTXSID20211237

HScode：

2924299090

Characteristics

PSA：

52.3

XLogP3：

1.1

Density：

1.2±0.1 g/cm3

Melting Point：

150 °C

Boiling Point：

278.9°C at 760 mmHg

Flash Point：

159.3±16.2 °C

Refractive Index：

1.552

Water Solubility：

Soluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Phenyl carbamate Use and Manufacturing

Phenyl carbamate is used as various phenyl carbamate esters derived from amino acids, a dipeptide and amino acid esters and amides were prepared and assessed as potential prodrugs with the aim of protecting phenolic drugs against first-pass metabolism following per oral administration.

A tin-catalyzed transcarbamoylation of primary and secondary alcohols with phenyl carbamate proceeds smoothly in toluene at 90℃ to generate the corresponding carbamates in good yields. This mild method exhibits a broad functional-group tolerance.
Y. Ichikawa, Y. Morishita, S. Kusaba, N. Sakiyama, Y. Matsuda, K. Nakano, H. Kotsuki, Synlett, 2010, 1815-1818.

http://dx.doi.org/10.1055/s-0030-1258102

Computed Properties

Molecular Weight:137.14
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:137.047678466
Monoisotopic Mass:137.047678466
Topological Polar Surface Area:52.3
Heavy Atom Count:10
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PHENYL CARBAMATE

CAS No.: 622-46-8

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